SCHEMBL3355334

SCHEMBL3355334

O=C(c1ccc(F)cc1)N1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.80
ALDH1A1 P00352 3/20 0.80
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
KDM4E B2RXH2 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
TSHR P16473 1/20 0.66
MLYCD O95822 2/20 0.62
HSD11B1 P28845 1/20 0.62
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
GRM5 P41594 1/20 0.60
MAPK1 P28482 1/20 0.59
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL18867940 1.00 HPGD (0.80) HPGDALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL517817 0.98 HPGD (0.77) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL31334408 0.98 HPGD (0.76) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL643480 0.94 ALDH1A1 (0.69) HPGDALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5337680 0.92 ALDH1A1 (0.67) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL16151536 0.90 HPGD (0.65) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL7734379 0.90 HPGD (0.65) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL22305103 0.90 CA12 (0.71) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL6985975 0.90 CA12 (0.71) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL7132525 0.89 HPGD (1.00) HPGDALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2023-04-13 US disclosed
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) VALO HEALTH, INC. (US) 2022-10-25 US disclosed
WO-2021121420-A1 BENZOPYRAZOLE COMPOUND AND INTERMEDIATE, PREPARATION METHOD, AND APPLICATION THEREOF 江苏凯迪恩医药科技有限公司 2021-06-24 WO disclosed
CN-108033694-A Novel silicate cement and preparation method thereof 天津山水水泥有限公司 2018-05-15 CN disclosed
CN-108033694-A Novel silicate cement and preparation method thereof 天津山水水泥有限公司 2018-05-15 CN disclosed
CN-107417767-A Dipeptide compound, its preparation method and the application of piperidines or piperazine structure 杭州市西溪医院 2017-12-01 CN disclosed
US-9718787-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-08-01 US disclosed
CN-106866625-A The preparation method of ketanserin 上海鼎雅药物化学科技有限公司 2017-06-20 CN disclosed
US-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 US disclosed
US-20150368205-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-12-24 US disclosed
US-5280032-A 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-01-18 US disclosed
US-5225412-A Antipsychotic HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-06 US disclosed
EP-0511610-A1 Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-04 EP disclosed
US-5143923-A Psychological disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-09-01 US disclosed
US-4990614-A N-heterocyclic amides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-05 US disclosed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 EP disclosed
EP-0311517-A2 Amide compound having glutamate receptor inhibiting activity Takeda Chemical Industries, Ltd. (JP) 1989-04-12 EP disclosed
EP-0124476-B1 CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
US-4559349-A TREATMENT OF PHYCHOSIS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0124476-A1 Carboxamides, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1984-11-07 EP 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 (4 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-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT HPGD 105/4885ALDH1A1 265/4885MEN1 2895/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT HPGD 105/4885ALDH1A1 265/4885MEN1 2895/4885
US-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC HPGD 2190/4885ALDH1A1 905/4885MEN1 2644/4885
US-20150368205-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 HPGD 509/4885ALDH1A1 607/4885MEN1 4081/4885

“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.