SCHEMBL768116

SCHEMBL768116

CC1CC(c2ccccc2)CC(C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAOA P21397 6/20 0.38
MAOB P27338 6/20 0.38
KDM1A O60341 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2B6 P20813 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 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
SCHEMBL13314952 0.80 MAPT (0.42) SLC18A3MEN1KMT2AMAPTCYP2C19
SCHEMBL26938568 0.80 MAPT (0.42) SLC18A3MEN1KMT2AMAPTCYP2C19
SCHEMBL170815 0.79 MEN1 (0.55) MEN1KMT2ACHRNA7MAOAMAOB
SCHEMBL170738 0.79 MEN1 (0.55) MEN1KMT2ACHRNA7MAOAMAOB
SCHEMBL4207545 0.78 HDAC2 (0.45) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL18639712 0.78 HDAC2 (0.45) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL16510459 0.78 CYP19A1 (0.35) SLC18A3MEN1KMT2AMAPTLMNA
SCHEMBL4194401 0.78 HDAC2 (0.45) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL15730212 0.78 HDAC2 (0.45) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL15730577 0.78 HDAC2 (0.45) SLC18A3SIGMAR1GAAMAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
US-20120071495-A1 Treatment for Neurological and Mental Disorders PSYCHOGENICS, INC. (US) 2012-03-22 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-20120071495-A1 Treatment for Neurological and Mental Disorders PNMT, COMT, ACHE SLC18A3 16/4885SIGMAR1 477/4885MEN1 2930/4885
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 SLC18A3 2438/4885SIGMAR1 1641/4885MEN1 2458/4885

“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.