SCHEMBL12017296

SCHEMBL12017296

Cc1nccc2nc(OCCN(C)C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.47
MAOA P21397 2/20 0.45
HTR1B P28222 1/20 0.41
HTR6 P50406 1/20 0.40
NR4A2 P43354 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CYBB P04839 1/20 0.38
NCF1 P14598 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL3322494 0.83 HTR1D (0.53) HTR1BHTR6CYBBNCF1ALDH1A1
SCHEMBL3320947 0.78 NUDT1 (0.35) MAOA
SCHEMBL14024446 0.77 PDE3B (0.37) MAOACYBBNCF1
SCHEMBL3320715 0.76 PDE3B (0.34) MAOACYBBNCF1
SCHEMBL3317233 0.75 MEN1 (0.50) HTR1BSMN1; SMN2LTA4H
SCHEMBL3320336 0.74 MEN1 (0.52) HTR7HTR1BADRB2LTA4H
SCHEMBL3321913 0.74 MEN1 (0.49) SMN1; SMN2LTA4H
SCHEMBL7535239 0.73 HTR7 (0.77) HTR7HTR1BHTR6CHRNB2CHRNA4
SCHEMBL3321404 0.73 MEN1 (0.45) KDM4EALDH1A1
SCHEMBL3322480 0.72 HRH3 (0.55) NCF1TDO2KDM4EALDH1A1

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
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US claimed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 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-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 HTR7 386/4885MAOA 2249/4885HTR1B 742/4885

“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.