SCHEMBL3579326

SCHEMBL3579326

O=C1CCCCN1CCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HTR2A P28223 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
HTR1D P28221 5/20 0.49
HTR1B P28222 5/20 0.49
GPR84 Q9NQS5 1/20 0.49
MPO P05164 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A4 P31645 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL11544472 0.91 RAB9A (0.70) RAB9ASMN1; SMN2HTR2AMEN1LMNA
SCHEMBL30274876 0.86 RAB9A (0.70) RAB9ASMN1; SMN2HTR2AMEN1LMNA
SCHEMBL11538702 0.86 RAB9A (0.70) RAB9ASMN1; SMN2HTR2AMEN1LMNA
SCHEMBL11536718 0.86 RAB9A (0.70) RAB9ASMN1; SMN2HTR2ATRPM8CDK4
SCHEMBL11536860 0.83 HTR2A (0.68) RAB9ASMN1; SMN2HTR2ATRPM8MEN1
SCHEMBL10679736 0.79 RAB9A (0.92) RAB9ASMN1; SMN2HTR2AMEN1MAPT
SCHEMBL11543826 0.79 RAB9A (0.70) RAB9ASMN1; SMN2HTR2AMEN1LMNA
SCHEMBL11539493 0.79 RAB9A (0.70) RAB9ASMN1; SMN2HTR2AGPR84MPO
SCHEMBL11538262 0.79 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2HTR2AMAPTHTR1D
SCHEMBL26508389 0.78 MPO (0.67) HTR2ATRPM8CDK4CCND1HTR1D

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-20100105666-A1 TRIAZABENZO (A)NAPHTHO(2,1,8-CDE) AZULENE COMPOUNDS. LES LABORATOIRES SERVIER (FR) 2010-04-29 US disclosed
US-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES LES LABORATOIRES SERVIER (FR) 2009-12-03 US disclosed
US-5332748-A Antiischemic, antianoxic ROUSSEL-UCLAF (FR) 1994-07-26 US disclosed
US-5093337-A SUBSTITUTED DERIVATIVES OF 20,21-DINOREBURNAMENINE, THEIR USE AS MEDICAMENTS AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL UCLAF (FR) 1992-03-03 US disclosed
US-4138489-A FORMALDEHYDE, QUATERNIZATION AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1979-02-06 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 (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-20100105666-A1 TRIAZABENZO (A)NAPHTHO(2,1,8-CDE) AZULENE COMPOUNDS. NR1I2, NR2E1, NR0B2 RAB9A 1612/4885SMN1; SMN2 3404/4885HTR2A 231/4885
US-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES NLN, GAP43, SNCA RAB9A 2647/4885SMN1; SMN2 5/4885HTR2A 798/4885

“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.