SCHEMBL12377879

SCHEMBL12377879

Cc1cccc(N2CCN(C(C)C)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.59
KCNH2 Q12809 2/20 0.57
MAPT P10636 5/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
KHK P50053 1/20 0.51
DHFR P00374 1/20 0.48
HDAC4 P56524 1/20 0.47
HTR7 P34969 1/20 0.47
MAPK1 P28482 1/20 0.46
NLRP3 Q96P20 1/20 0.46
C1S P09871 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
OPRM1 P35372 1/20 0.46
MEN1 O00255 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28851958 0.90 ADRB1 (0.51) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL11103700 0.87 ADRB1 (0.74) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL10373770 0.87 ADRB1 (0.74) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL23102053 0.83 KCNH2 (0.55) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL2452440 0.82 ADRA2C (0.66) MAPTALDH1A1KDM4EPKMKHK
SCHEMBL3765839 0.82 ALDH1A1 (0.58) KCNH2MAPTALDH1A1RAB9APKM
SCHEMBL11096302 0.81 KCNH2 (0.73) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL19009076 0.81 ALDH1A1 (0.50) KCNH2MAPTALDH1A1KDM4EPKM
SCHEMBL15341961 0.81 ALDH1A1 (0.50) MAPTALDH1A1KDM4EPKMKHK
SCHEMBL11955707 0.81 HTR3E (0.58) ADRB1KCNH2MAPTALDH1A1HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2023-07-06 US disclosed
EP-3459936-B1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-04-27 EP disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed
EP-3480186-A1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT Kemimedi Co. Ltd (KR) 2019-05-08 EP disclosed
EP-3459936-A1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT Kemimedi Co. Ltd (KR) 2019-03-27 EP disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS SLC6A2, SLC6A3, SLC6A4 ADRB1 227/4885KCNH2 1959/4885MAPT 140/4885
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 ADRB1 208/4885KCNH2 531/4885MAPT 4129/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 ADRB1 110/4885KCNH2 832/4885MAPT 3915/4885
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D ADRB1 12/4885KCNH2 49/4885MAPT 4573/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ADRB1 1695/4885KCNH2 3663/4885MAPT 1627/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ADRB1 1695/4885KCNH2 3663/4885MAPT 1627/4885
US-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 ADRB1 1654/4885KCNH2 1162/4885MAPT 4313/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB ADRB1 127/4885KCNH2 2248/4885MAPT 191/4885
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 ADRB1 891/4885KCNH2 1510/4885MAPT 1732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.