SCHEMBL4068305

SCHEMBL4068305

COCCc1ccc(N(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.56
ALDH1A1 P00352 6/20 0.54
TSHR P16473 4/20 0.54
MAPK1 P28482 2/20 0.54
CYP3A4 P08684 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
CHKA P35790 3/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
APP P05067 3/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1338713 0.83 NR3C1 (0.44) CALM1TSHRTDP1
SCHEMBL4405018 0.81 ALDH1A1 (0.70) CALM1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL14524153 0.79 TSHR (0.50) CALM1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL17609119 0.79 ESR1 (0.45) CALM1ALDH1A1CYP3A4TDP1HSD17B10
SCHEMBL14499013 0.78 ALDH1A1 (0.48) CALM1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL14498981 0.78 ALDH1A1 (0.48) CALM1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL279512 0.78 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL7968199 0.77 ALDH1A1 (0.58) CALM1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL6310153 0.77 ALDH1A1 (0.64) CALM1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL12926311 0.77 MAOB (0.48) ALDH1A1HPGDRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3960767-A2 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES Novartis AG (CH) 2022-03-02 EP disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 CALM1 3005/4885ALDH1A1 1250/4885TSHR 308/4885

“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.