SCHEMBL14948522

SCHEMBL14948522

O=C(OCc1ccccc1)N1[C@H](c2cc(=O)c3ccc(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ AGTR2 P50052 4/20 0.36
▸ FKBP1A P62942 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL10082157 0.82 AADAT (0.44) SIGMAR1TMEM97
SCHEMBL16276267 0.80 TNKS (0.38) HTR2CTDP1AGTR2FKBP1APSEN1
SCHEMBL10081950 0.76 AADAT (0.44) SIGMAR1TMEM97
SCHEMBL16355395 0.71 TACR3 (0.38) HTR2CAGTR2ALKNPC1RAB9A
SCHEMBL7339038 0.70 ACE (0.53) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL3843206 0.70 ACE (0.53) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL4842577 0.70 ACE (0.53) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL4799717 0.70 ACE (0.53) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL4848858 0.70 ACE (0.53) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL16276265 0.69 HTR2C (0.48) HTR2CFKBP1APSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 — — US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 — — US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 — — US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 — — 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-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 HTR2C 2071/4885TDP1 4319/4885AGTR2 1171/4885

“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.

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