SCHEMBL7628069

SCHEMBL7628069

CC(=O)NC1(CCN2CCN(Cc3ccccc3)CC2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MC4R P32245 1/20 0.47
TSHR P16473 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
HDAC4 P56524 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 1/20 0.45
OPRM1 P35372 1/20 0.44

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
SCHEMBL7627749 0.81 MC4R (0.50) KMT2AHTR1AHTR7ALDH1A1MC4R
SCHEMBL6543308 0.79 CYP2D6 (0.57) CYP2D6ALDH1A1TSHR
SCHEMBL1995314 0.79 CYP2D6 (0.57) CYP2D6ALDH1A1TSHRSIGMAR1OPRM1
Hydrochloric Acid SCHEMBL10644303 0.79 TSHR (0.48) CYP2D6KMT2AHTR1AHTR7ALDH1A1
SCHEMBL5471103 0.78 ALDH1A1 (0.42) KMT2AALDH1A1HDAC1
SCHEMBL7620722 0.78 SIGMAR1 (0.51) CYP2D6KMT2AHTR1AHTR7ALDH1A1
SCHEMBL1991966 0.76 CYP2D6 (0.59) CYP2D6ALDH1A1TSHRSIGMAR1HDAC4
SCHEMBL7631476 0.75 TSHR (0.55) CYP2D6KMT2AHTR1AHTR7ALDH1A1
SCHEMBL7628483 0.75 MAPK1 (0.46) CYP2D6KMT2AALDH1A1TSHRSIGMAR1
Hydrochloric Acid SCHEMBL8416135 0.75 CYP2D6 (0.58) CYP2D6KMT2AALDH1A1TSHRSIGMAR1

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 CYP2D6 716/4885KMT2A 3716/4885HTR1A 503/4885

“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.