SCHEMBL4300723

SCHEMBL4300723

CC1CCN(CC[C@H]2CCCN2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
ACHE P22303 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CXCR4 P61073 1/20 0.36
HTR7 P34969 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
CYP1A2 P05177 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL4300726 1.00 CARM1 (0.44) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL24322555 1.00 CARM1 (0.44) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL24322374 0.95 ACHE (0.43) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL24322571 0.95 ACHE (0.43) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL11300211 0.84 CXCR4 (0.44) HRH3CXCR4SIGMAR1CYP1A2
SCHEMBL14603125 0.83 ACHE (0.50) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL4383201 0.81 CXCR4 (0.36) HRH3CXCR4
SCHEMBL4383519 0.79 CXCR4 (0.35) CXCR4
SCHEMBL4667716 0.79 CXCR4 (0.35) CXCR4
SCHEMBL8333360 0.79 CYP1A2 (0.46) HRH3POLBCXCR4SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
US-20090270455-A1 Therapeutic agent for intestinal diseases and visceral pain AJINOMOTO CO., INC. (JP) 2009-10-29 US disclosed
US-20050148632-A1 Therapeutic agent for intestinal diseases and visceral pain AJINOMOTO CO., INC. (JP) 2005-07-07 US disclosed
EP-1541172-A1 REMEDY FOR INTESTINAL DISEASES AND VISCERAL PAIN Ajinomoto Co., Inc. (JP) 2005-06-15 EP disclosed
EP-0912512-B1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2003-04-02 EP disclosed
US-6265408-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANT SMITHKLINE BEECHAM PLC (GB) 2001-07-24 US disclosed
EP-0912512-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1997048681-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO 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 (3 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-20090270455-A1 Therapeutic agent for intestinal diseases and visceral pain VIP, VIPR2, GPR17 CARM1 4680/4885PRMT6 2921/4885PRMT1 3937/4885
US-20050148632-A1 Therapeutic agent for intestinal diseases and visceral pain VIP, VIPR2, GPR17 CARM1 4680/4885PRMT6 2921/4885PRMT1 3937/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN CARM1 4394/4885PRMT6 2880/4885PRMT1 3039/4885

“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.