SCHEMBL3886540

SCHEMBL3886540

c1ccc2c(c1)CC1CCNCC1C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.39
HTR2C P28335 4/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL3886029 0.84 BPTF (0.45) HTR2CHTR2AHTR2B
SCHEMBL3887869 0.84 BPTF (0.45) HTR2CHTR2AHTR2B
SCHEMBL3886031 0.84 BPTF (0.45) HTR2CHTR2AHTR2B
SCHEMBL3886033 0.84 BPTF (0.45) HTR2CHTR2AHTR2B
SCHEMBL2971715 0.79 CHRNB2 (0.38)
SCHEMBL2961660 0.79 CHRNB2 (0.31)
SCHEMBL11763350 0.78 CHRNB2 (0.40) HTR2CHTR2AHTR2B
SCHEMBL2963438 0.78 PNMT (0.31)
SCHEMBL1047199 0.77 HTR2C (0.42) HTR2CHTR2AHTR2BSIGMAR1
SCHEMBL29613747 0.77 HTR2C (0.42) HTR2CHTR2AHTR2BSIGMAR1

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
WO-2022012534-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS 广州费米子科技有限责任公司 2022-01-20 WO disclosed
US-7550500-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-01-19 US disclosed
US-6960666-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
US-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-10-21 US disclosed
US-6784200-B2 SUCH AS N-3-(CIS-2,3,3A,4,9,9A-HEXAHYDRO-1H-BENZ(F)ISOINDOL-2-YL)-N-PROP-1-YL-N'-3 -ACETYLPHENYLUREA FOR PREVENTION OF INFLAMMATORY DISEASES (ASTHMA AND ALLERGIES) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-31 US disclosed
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-01-08 US disclosed
US-6586446-B1 Chemotaxic cytokine agonists or antagonists such as N(3-acetylphlenyl)-N'-(-2-((-3-((4-fluorophenyl)methyl)-8 -azabicyclo(3.2.1)oct-8-yl)methyl)-(2R)-1-cyclohexyl)urea, used as antiinflammatory agents for asthma or allergies BRISTOL-MYERS SQUIBB COMPANY 2003-07-01 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 (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-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 ADRA2A 231/4885HTR2C 833/4885HTR2A 1189/4885
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 ADRA2A 231/4885HTR2C 833/4885HTR2A 1189/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 ADRA2A 247/4885HTR2C 612/4885HTR2A 788/4885

“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.