SCHEMBL6532353

SCHEMBL6532353

O=c1c(CC=CN2CCCCC2)cnc2ccccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 3/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL14161794 0.74 MAPT (0.48) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL12531879 0.73 ADORA3 (0.46) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL2228615 0.73 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL8805105 0.72 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRSMN1; SMN2NPC1
SCHEMBL8517029 0.71 GAA (0.49) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL14161884 0.71 MAPT (0.48) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL13271298 0.70 ADORA3 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL14161883 0.69 MAPT (0.56) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL30431911 0.68 SMN1; SMN2 (0.47) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL12442920 0.68 KDM4E (0.50) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037265-B1 3-(1-PIPERIDINYLALKYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-01-23 EP claimed
US-4342870-A SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1982-08-03 US claimed
EP-0037265-A1 3-(1-piperidinylalkyl)-4H-pyrido(1,2-a)pyrimidin-4-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-07 EP claimed
US-9834555-B2 Method for treating pain syndrome and other disorders VM Therapeutics LLC. (US) 2017-12-05 US disclosed
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM THERAPEUTICS LLC (US) 2016-11-03 US disclosed
US-9402848-B2 Method for treating pain syndrome and other disorders VM THERAPEUTICS LLC (US) 2016-08-02 US disclosed
US-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY, INC. 2015-06-04 US disclosed
US-8980900-B2 Method for treating pain syndrome and other disorders VM Therapeutics, LLC. (US) 2015-03-17 US disclosed
US-20140378476-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY, INC. 2014-12-25 US disclosed
US-8865727-B2 Method for treating pain syndrome and other disorders VM THERAPEUTICS LLC (US) 2014-10-21 US disclosed
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY INC. (US) 2011-03-03 US disclosed
EP-0037265-B1 3-(1-PIPERIDINYLALKYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-01-23 EP disclosed
US-4342870-A SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1982-08-03 US disclosed
EP-0037265-A1 3-(1-piperidinylalkyl)-4H-pyrido(1,2-a)pyrimidin-4-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-07 EP 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-20140378476-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ALDH1A1 3240/4885L3MBTL1 2952/4885TSHR 2173/4885
US-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ALDH1A1 3240/4885L3MBTL1 2952/4885TSHR 2173/4885
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ALDH1A1 3240/4885L3MBTL1 2952/4885TSHR 2173/4885
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ALDH1A1 3240/4885L3MBTL1 2952/4885TSHR 2173/4885

“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.