SCHEMBL6411629

SCHEMBL6411629

CNCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.67
▸ HRH1 P35367 2/20 0.67
▸ SLC6A4 P31645 4/20 0.54
▸ HTT P42858 3/20 0.51
▸ MITF O75030 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SLC6A2 P23975 2/20 0.48
▸ EPHX2 P34913 5/20 0.47

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
SCHEMBL11583277 0.88 HTR2A (0.69) HTR2AHRH1SLC6A4HTTMITF
SCHEMBL13934317 0.85 HTR2A (0.59) HTR2AHRH1SLC6A4HTTMITF
SCHEMBL3638413 0.80 HTR2A (1.00) HTR2AHRH1SLC6A4HTTLMNA
SCHEMBL24302606 0.80 MEN1 (0.55) HTR2AHRH1SLC6A4TAAR1KMT2A
SCHEMBL1977801 0.80 ROCK2 (0.53) HTR2AHRH1SLC6A4
SCHEMBL4883561 0.79 HTR2A (0.67) HTR2AHRH1SLC6A4HTTLMNA
SCHEMBL6416831 0.78 SLC6A4 (0.45) HTR2AHRH1SLC6A4HTTMITF
Hydrochloric Acid SCHEMBL5223012 0.78 HTR2A (0.95) HTR2AHRH1SLC6A4HTTLMNA
SCHEMBL6900402 0.78 HTR2A (0.70) HTR2AHRH1SLC6A4LMNATAAR1
SCHEMBL11496175 0.77 SLC6A4 (0.45) HTR2AHRH1SLC6A4TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 — — US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 — — US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 — — US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 — — US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 — — WO disclosed
EP-0028682-A2 Intermediates useful at the preparation of compounds having anti-depressive or tranquilizing activity Astra Läkemedel Aktiebolag (SE) 1981-05-20 — — 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 HTR2A 2372/4885HRH1 900/4885SLC6A4 3455/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 HTR2A 3482/4885HRH1 1319/4885SLC6A4 3867/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 HTR2A 3482/4885HRH1 1319/4885SLC6A4 3867/4885

“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.

Send feedback