SCHEMBL8258148

SCHEMBL8258148

Cc1nnc(N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.49
MAPT P10636 10/20 0.42
DCTPP1 Q9H773 1/20 0.42
AVPR1A P37288 3/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
OXTR P30559 2/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
CNR1 P21554 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4890791 0.86 AVPR1A (0.43) MAPK1MAPTAVPR1AHTTCYP1A2
SCHEMBL4897426 0.83 AVPR1A (0.44) MAPTAVPR1AOXTRGAACNR1
SCHEMBL4901496 0.81 OXTR (0.39) MAPK1MAPTAVPR1AOXTRCNR1
SCHEMBL5158020 0.81 AVPR1A (0.41) AVPR1AOXTRCNR1
SCHEMBL5155753 0.80 AVPR1A (0.42) AVPR1AOXTRCNR1
SCHEMBL5428048 0.77 AVPR1A (0.52) AVPR1AOXTRCNR1
SCHEMBL5436405 0.77 CNR1 (0.55) AVPR1AOXTRCNR1
SCHEMBL8277898 0.77 AVPR1A (0.46) AVPR1AOXTRCYP2D6KMT2ASMN1; SMN2
SCHEMBL315574 0.76 CNR1 (0.55) AVPR1AALDH1A1CNR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5443700 0.76 AVPR1A (0.46) AVPR1AOXTRCYP2D6KMT2ASMN1; SMN2

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-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPK1 2576/4885MAPT 4528/4885DCTPP1 3881/4885

“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.