SCHEMBL3708052

SCHEMBL3708052

Cc1ccc(CN(Cc2ccccc2)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.70
HRH3 Q9Y5N1 3/20 0.70
SIGMAR1 Q99720 6/20 0.64
SLC6A12 P48065 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
ACHE P22303 2/20 0.57
BACE1 P56817 2/20 0.57
BCHE P06276 1/20 0.57
ATM Q13315 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL6310838 0.84 SIGMAR1 (0.58) MCHR1HRH3SIGMAR1ACHEBACE1
SCHEMBL5540732 0.83 MCHR1 (0.50) MCHR1HRH3LMNAACHEBACE1
SCHEMBL1646804 0.82 HRH3 (0.61) MCHR1HRH3SIGMAR1KDM4EACHE
SCHEMBL340490 0.79 UBE2M (0.61) MCHR1HRH3TMEM97ACHEBACE1
SCHEMBL5862050 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8037825 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL5577702 0.77 MCHR1 (0.51) MCHR1HRH3SIGMAR1GAAKDM4E
SCHEMBL19086863 0.77 SIGMAR1 (0.68) SIGMAR1
SCHEMBL1425074 0.76 SIGMAR1 (1.00) MCHR1SIGMAR1SLC6A12TMEM97ATM
SCHEMBL8274001 0.76 MEN1 (0.78) MCHR1SIGMAR1SLC6A12TMEM97GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
US-6815458-B2 NERVOUS SYSTEM DISORDERS ACADIA PHARMACEUTICALS, INC 2004-11-09 US disclosed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 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-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT MCHR1 131/4885HRH3 194/4885SIGMAR1 295/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C MCHR1 79/4885HRH3 201/4885SIGMAR1 49/4885

“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.