SCHEMBL5525994

SCHEMBL5525994

C[C@H](N)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
TERT O14746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMYD3 Q9H7B4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
SPR P35270 1/20 0.33
NLN Q9BYT8 2/20 0.33

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
Hydrochloric Acid SCHEMBL8652194 0.99 HTT (0.38) HTTATMTERTALDH1A1L3MBTL1
SCHEMBL16458256 0.89 HTT (0.37) HTTATMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2608923 0.88 RECQL (0.43) HTTATMALDH1A1L3MBTL1MEN1
SCHEMBL7619939 0.86 LARS1 (0.39) HTTATM
SCHEMBL7619941 0.86 LARS1 (0.39) HTTATM
SCHEMBL7772829 0.86 HTT (0.37) HTTATMALDH1A1L3MBTL1SMYD3
SCHEMBL30399454 0.84 GAA (0.45) HTTATMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7624049 0.84 NLN (0.42) NLN
SCHEMBL15398762 0.84 NLN (0.39) NLN
SCHEMBL7624042 0.84 NLN (0.42) NLN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139414-A1 COMPOSITION FOR TREATING ESOPHAGEAL REFLUX METIS HEALTHCARE S.R.L. (IT) 2023-07-27 WO claimed
EP-3328409-A1 COMPOSITION FOR THE INCREASE OF HUMORAL SECRETION Metis Healthcare S.r.L. (IT) 2018-06-06 EP claimed
WO-2017021816-A1 COMPOSITION FOR THE INCREASE OF HUMORAL SECRETION METIS HEALTHCARE S.R.L. (IT) 2017-02-09 WO claimed
EP-1812110-A1 APPARATUS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS Dermaglaia Ltd. (GB) 2007-08-01 EP claimed
WO-2006040597-A1 APPARATUS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS DERMAGLAIA LTD (GB) 2006-04-20 WO claimed
EP-0684944-A1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL S.A.M. (MC) 1995-12-06 EP claimed
WO-1994019325-A1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL SOCIETE ANONYME MONEGASQUE (MC) 1994-09-01 WO claimed
US-20230203016-A1 DICARBOXYLIC ACID BISAMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING DICARBOXYLIC ACID BISAMIDE DERIVATIVES NEBOLSIN, VLADIMIR EVGENIEVICH (RU) 2023-06-29 US disclosed
CN-110913957-B Cosmetic composition comprising an essential oil of Helichrysum and an extract of oregano M&L实验室 2022-12-02 CN disclosed
US-20220324843-A1 DICARBOXYLIC ACID BISAMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING DICARBOXYLIC ACID BISAMIDE DERIVATIVES NEBOLSIN, VLADIMIR EVGENIEVICH (RU) 2022-10-13 US disclosed
CN-107106464-B Antioxidant and antioxidant/UV-preventive cosmetic 江崎格力高株式会社 2020-09-11 CN disclosed
CN-107912022-A Cosmetic composition containing E/Z-2-benzyl indene-5, 6-dimethoxy-3, 3-dimethyl indan-1-one 西姆莱斯股份公司 2018-04-13 CN disclosed
CN-104769026-A Surface modification method and surface-modified elastic body SUMITOMO RUBBER IND 2015-07-08 CN disclosed
WO-2004028536-A1 METHOD FOR TOPICAL TREATMENT OF EYE DISEASE AND COMPOSITION AND DEVICE FOR SAID TREATMENT BABIZHAYEV MARK A (RU) 2004-04-08 WO disclosed
US-5792784-A A PSEUDO-DIPEPTIDE PRODUCT WHICH IS HISTAMINE OR METHYL-SUBSTITUTED HISTAMINE COUPLED WITH A AMINO ACID; USED IN THERAPEUTICAL, COSMETOLOGICAL APPLICATIONS AND TREATS VISION DEFECT Babizhayev, Marc (SU) 1998-08-11 US disclosed
EP-0684944-A1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL S.A.M. (MC) 1995-12-06 EP disclosed
WO-1994019325-A1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL SOCIETE ANONYME MONEGASQUE (MC) 1994-09-01 WO disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 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 (2 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-20230203016-A1 DICARBOXYLIC ACID BISAMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING DICARBOXYLIC ACID BISAMIDE DERIVATIVES GOT2, HADHA, ACAA2 HTT 1629/4885ATM 3554/4885TERT 1085/4885
US-20220324843-A1 DICARBOXYLIC ACID BISAMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING DICARBOXYLIC ACID BISAMIDE DERIVATIVES GOT2, HADHA, ACAA2 HTT 1629/4885ATM 3554/4885TERT 1085/4885

“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.