SCHEMBL7631476

SCHEMBL7631476

NC(=O)C1(CCN2CCN(Cc3ccccc3)CC2)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 5/20 0.53
CYP2D6 P10635 2/20 0.53
KMT2A Q03164 2/20 0.52
SIGMAR1 Q99720 1/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
MC4R P32245 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL7620722 0.89 SIGMAR1 (0.51) TSHRALDH1A1CYP2D6KMT2ASIGMAR1
SCHEMBL7623544 0.82 OPRM1 (0.49) CYP2D6KMT2ASIGMAR1MC4RCCR3
SCHEMBL7628106 0.81 LMNA (0.64) ALDH1A1CYP2D6KMT2AMAPK1LMNA
SCHEMBL7625247 0.79 SIGMAR1 (0.56) TSHRALDH1A1KMT2ASIGMAR1MC4R
SCHEMBL7623444 0.77 SIGMAR1 (0.55) TSHRALDH1A1KMT2ASIGMAR1MC4R
SCHEMBL4610975 0.77 TSHR (0.80) TSHRALDH1A1CYP2D6KMT2ASIGMAR1
SCHEMBL6602340 0.76 SIGMAR1 (0.53) TSHRALDH1A1KMT2ASIGMAR1HTR1A
Hydrochloric Acid SCHEMBL6504677 0.76 TSHR (0.78) TSHRALDH1A1CYP2D6KMT2ASIGMAR1
SCHEMBL7628069 0.75 CYP2D6 (0.49) TSHRALDH1A1CYP2D6KMT2ASIGMAR1
SCHEMBL3392742 0.75 TSHR (0.43) TSHRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists IKEDA TAKAFUMI (JP) 2001-11-29 US disclosed
EP-1106614-A1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 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-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 TSHR 3032/4885ALDH1A1 2557/4885CYP2D6 716/4885

“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.