SCHEMBL6182607

SCHEMBL6182607

NCC1(c2ccccn2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
SLC6A3 Q01959 11/20 0.49
SLC6A4 P31645 9/20 0.49
SLC6A2 P23975 5/20 0.49
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PTPN11 Q06124 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL6803003 1.00 DPP4 (0.52) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL20777704 0.98 DPP4 (0.53) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL11972618 0.95 DPP4 (0.48) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL3892446 0.91 MAOA (0.50) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL8627195 0.86 GRIN1 (0.47) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL21927029 0.83 ALDH1A1 (0.43) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL27459789 0.82 GRIN1 (0.50) GRIN1GRIN2AGRIN2BSLC6A3SLC6A4
SCHEMBL28459324 0.82 GRIN1 (0.50) GRIN1GRIN2AGRIN2BOPRM1KDM4E
SCHEMBL3326134 0.80 PTPN11 (0.47) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL15863115 0.80 GRIN1 (0.47) GRIN1GRIN2AGRIN2BOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 EP disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
EP-1334102-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-08-13 EP disclosed
US-20020169101-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-11-14 US disclosed
WO-2002040469-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
WO-2002040475-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
WO-2002040022-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONIST WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
WO-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
US-20020058606-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-05-16 US disclosed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO 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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A DPP4 4543/4885GRIN1 802/4885GRIN2A 1920/4885
US-20020058606-A1 Treatment of sexual dysfunction BRS3, GNRHR, VIPR2 DPP4 1479/4885GRIN1 1504/4885GRIN2A 1453/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 DPP4 2123/4885GRIN1 2994/4885GRIN2A 4215/4885
US-20020169101-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 DPP4 396/4885GRIN1 2290/4885GRIN2A 3377/4885

“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.