SCHEMBL6845446

SCHEMBL6845446

O=C(CN1CCC(CN2C(=O)c3cccc(F)c3C2=O)CC1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
HTR1A P08908 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 2/20 0.53
HTR2C P28335 3/20 0.49
DRD2 P14416 2/20 0.49
HTR2B P41595 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.41

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
Hydrochloric Acid SCHEMBL6844018 0.99 HTR2A (0.60) HTR2AHTR1ATMEM97KDM4EALDH1A1
SCHEMBL6847393 0.89 HTR2A (0.71) HTR2AHTR1ATMEM97KDM4EALDH1A1
SCHEMBL6844015 0.86 ALDH1A1 (0.72) HTR2AHTR1ATMEM97KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6845551 0.85 KDM4E (0.70) HTR2AHTR1ATMEM97KDM4EALDH1A1
SCHEMBL5249167 0.80 HTR2A (0.74) HTR2AHTR1ATMEM97KDM4EALDH1A1
SCHEMBL6845501 0.80 HTR2A (0.61) HTR2AHTR1ATMEM97KDM4EALDH1A1
SCHEMBL6845506 0.80 HTR2A (0.57) HTR2AHTR1ATMEM97ALDH1A1HTR2C
Hydrochloric Acid SCHEMBL5249338 0.80 HTR2A (0.73) HTR2AHTR1ATMEM97KDM4EALDH1A1
SCHEMBL6840053 0.79 HTR2A (0.56) HTR2AHTR1ATMEM97KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6839998 0.79 HTR1A (0.56) HTR2AHTR1ATMEM97ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176413-A1 Serotonin antagonists AVENTIS PHARMACEUTICALS INC. (US) 2004-09-09 US disclosed
US-20030212141-A1 Serotonin antagonists NIEDUZAK THADDEUS R (US) 2003-11-13 US disclosed
US-20030083325-A1 Serotonin antagonists BANK ONE, N.A. 2003-05-01 US disclosed
US-20020002174-A1 Serotonin antagonists NIEDUZAK THADDEUS R (US) 2002-01-03 US disclosed
EP-0637306-B1 4-IMIDOMETHYL-1- [2'-PHENYL-2'-OXOETHYL]- PIPERIDINES AS SEROTONIN 5HT 2-ANTAGONISTS, THEIR PREPARATION AND USE IN THERAPY MERRELL PHARMA INC (US) 2001-05-30 EP disclosed
EP-0637306-A1 4-IMIDOMETHYL-1- 2'PHENYL-2'OXOETHYL-] PIPERIDINES AS SEROTONIN 5HT 2?-ANTAGONISTS, THEIR PREPARATION AND USE IN THERAPY MERRELL PHARMACEUTICALS INC. (US) 1995-02-08 EP disclosed
WO-1993022309-A1 4-IMIDOMETHYL-1-[2'PHENYL-2'OXOETHYL-] PIPERIDINES AS SEROTONIN 5HT2-ANTAGONISTS, THEIR PREPARATION AND USE IN THERAPY MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-11 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 (4 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-20040176413-A1 Serotonin antagonists TPH2, TPH1, HTR1A HTR2A 4/4885HTR1A 3/4885TMEM97 417/4885
US-20020002174-A1 Serotonin antagonists TPH2, TPH1, HTR1A HTR2A 4/4885HTR1A 3/4885TMEM97 417/4885
US-20030083325-A1 Serotonin antagonists TPH2, TPH1, HTR1A HTR2A 4/4885HTR1A 3/4885TMEM97 417/4885
US-20030212141-A1 Serotonin antagonists TPH2, TPH1, HTR1A HTR2A 4/4885HTR1A 3/4885TMEM97 417/4885

“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.