SCHEMBL315986

SCHEMBL315986

Nc1ccc(Cl)cc1CN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ACHE P22303 2/20 0.47
CYP2A13 Q16696 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1978110 0.85 CYP2A13 (0.67) ALDH1A1KDM4ETDP1CYP2A13LMNA
SCHEMBL6271150 0.81 ACHE (0.69) KMT2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL30596568 0.80 MEN1 (0.60) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL19634064 0.80 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6273743 0.80 ACHE (0.70) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12139509 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL24508364 0.78 KDM4E (0.73) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8388805 0.77 TSHR (0.66) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11618145 0.77 KDM4E (0.65) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11617290 0.77 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 MEN1 2639/4885KMT2A 3968/4885ALDH1A1 2650/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MEN1 1081/4885KMT2A 1134/4885ALDH1A1 2031/4885

“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.