SCHEMBL3934584

SCHEMBL3934584

c1ccc(CN2CCc3cnccc3C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DRD4 P21917 2/20 0.50
HTR2B P41595 2/20 0.50
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PNMT P11086 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HRH1 P35367 1/20 0.50
ACHE P22303 1/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL14968759 0.87 ALDH1A1 (0.49) LMNASMN1; SMN2TMEM97SIGMAR1RAB9A
SCHEMBL14234931 0.83 KMT2A (0.58) LMNASMN1; SMN2USP2TSHRMEN1
SCHEMBL31134754 0.82 ACHE (0.66) SMN1; SMN2MEN1KMT2ADRD4HTR2B
SCHEMBL10978742 0.82 ACHE (0.66) SMN1; SMN2MEN1KMT2ADRD4HTR2B
Hydrochloric Acid SCHEMBL16713363 0.80 ACHE (0.64) SMN1; SMN2MEN1KMT2ADRD4HTR2B
SCHEMBL14879203 0.78 SIGMAR1 (0.46) LMNASMN1; SMN2USP2TSHRDRD4
SCHEMBL805471 0.78 SIGMAR1 (0.46) SIGMAR1PNMTACHEPRMT5WDR77
SCHEMBL2110350 0.77 PTGER2 (0.49)
SCHEMBL27227674 0.76 CXCR3 (0.49) SMN1; SMN2DRD4SIGMAR1ACHEHTR1A
SCHEMBL15248081 0.75 KMT2A (0.47) LMNAMEN1KMT2ADRD4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
WO-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US disclosed
US-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2003-07-03 US disclosed
EP-1242423-A1 SUBSTITUTED 1,2,3-TRIAZOLO 1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2002-09-25 EP disclosed
WO-2001044250-A1 SUBSTITUTED 1,2,3-TRIAZOLO[1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 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-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition HAX1, HTR1D, CHRM1 LMNA 1802/4885SMN1; SMN2 1179/4885USP2 3924/4885

“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.