SCHEMBL647653

SCHEMBL647653

CCCCC(NN1CCCC1COCC)c1cnc(-c2ccccc2)n1CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNB2 P17787 4/20 0.36
TSHR P16473 3/20 0.36
CHRNB1 P11230 3/20 0.36
CHRNB3 Q05901 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ATM Q13315 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL647654 1.00 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2TSHRCHRNB1
SCHEMBL647655 1.00 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2TSHRCHRNB1
SCHEMBL1912803 0.92 DRD2 (0.38) CHRNB4CHRNA3CHRNB2TSHRCHRNB1
SCHEMBL5634810 0.92 DRD2 (0.38) CHRNB4CHRNA3CHRNB2TSHRCHRNB1
SCHEMBL5634808 0.92 DRD2 (0.38) CHRNB4CHRNA3CHRNB2TSHRCHRNB1
SCHEMBL5634802 0.92 DRD2 (0.38) CHRNB4CHRNA3CHRNB2TSHRCHRNB1
SCHEMBL1913620 0.88 TSHR (0.38) CHRNB4CHRNA3CHRNB2TSHRCHRNB1
SCHEMBL650936 0.74 TSHR (0.41) TSHRKDM4EALDH1A1CYP3A4HPGD
SCHEMBL1912801 0.74 TSHR (0.41) TSHRKDM4EALDH1A1CYP3A4HPGD
SCHEMBL651962 0.70 TSHR (0.54) TSHRKDM4EALDH1A1HPGDHSD17B10

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 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 (1 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 CHRNB4 589/4885CHRNA3 423/4885CHRNB2 479/4885

“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.