SCHEMBL259795

SCHEMBL259795

Cc1ccc(OCCN2CCOCC2)cc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.77
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 2/20 0.65
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 2/20 0.57
CYP1A2 P05177 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
HTR2A P28223 1/20 0.57
SCN1A P35498 1/20 0.57
HTR2B P41595 1/20 0.57
KCNH2 Q12809 1/20 0.57
SCN2A Q99250 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
SCN3A Q9NY46 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
FKBP1A P62942 1/20 0.57

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
SCHEMBL10207398 0.93 ALDH1A1 (0.68) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1911879 0.88 NPC1 (0.69) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL4233034 0.87 NPC1 (0.67) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1605290 0.87 NPC1 (0.67) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1643217 0.87 NPC1 (0.71) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2946059 0.87 NPC1 (0.71) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL12311750 0.86 NPC1 (0.70) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL14035654 0.86 NPC1 (0.70) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1911850 0.86 NPC1 (0.66) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL13091445 0.86 KDM4E (0.71) NPC1MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119376-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-04-21 US disclosed
EP-3848367-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-07-14 EP disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
WO-2007096072-A2 NEW PYRIDIN-3-AMINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-30 WO disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (5 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-20220119376-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS CRBN, CSNK2A1, CSNK2A2 NPC1 1683/4885MEN1 3379/4885KMT2A 2165/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A NPC1 1963/4885MEN1 3330/4885KMT2A 1722/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A NPC1 1963/4885MEN1 3330/4885KMT2A 1722/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A NPC1 1963/4885MEN1 3330/4885KMT2A 1722/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 NPC1 3662/4885MEN1 4039/4885KMT2A 1199/4885

“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.