SCHEMBL19145083

SCHEMBL19145083

Cc1cnc(N(C)Cc2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
AOC3 Q16853 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CSF1R P07333 1/20 0.41
GRM5 P41594 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
SCHEMBL12889093 0.84 ALDH1A1 (0.54) ALDH1A1TSHRKDM4ELMNAAOC3
SCHEMBL20394335 0.84 LMNA (0.48) ALDH1A1TSHRKDM4ELMNATP53
SCHEMBL20406386 0.84 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ELMNATP53
SCHEMBL8422447 0.83 CYP2C19 (0.53) ALDH1A1TSHRKDM4ELMNAAOC3
SCHEMBL20755032 0.81 BCHE (0.48) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL22941521 0.81 RAB9A (0.43) ALDH1A1TSHRKDM4ELMNATP53
SCHEMBL19105550 0.81 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNATP53
SCHEMBL29957375 0.80 CXCR1 (0.48) ALDH1A1TSHRKDM4ELMNATP53
SCHEMBL11567282 0.79 GAA (0.49) ALDH1A1TSHRKDM4ELMNATP53
SCHEMBL12888743 0.71 HDAC1 (0.49) LMNAMAPTCYP2C19METAP2METAP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 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 (1 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 337/4885TSHR 2261/4885KDM4E 2919/4885

“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.