SCHEMBL14647153

SCHEMBL14647153

CN(C)CCOc1cc(F)ccc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.47
HTR1A P08908 5/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
SLC6A3 Q01959 2/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
DRD2 P14416 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 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 SCHEMBL15703234 0.99 HTR6 (0.46) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6610425 0.85 SLC6A2 (0.50) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14922737 0.84 HTR6 (0.49) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5363138 0.84 HTR1A (0.59) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6194097 0.82 SLC6A2 (0.52) HTR6HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10621024 0.81 SLC6A4 (0.51) HTR6HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5987323 0.81 SLC6A4 (0.51) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL15979568 0.81 TP53 (0.45) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL2875715 0.78 HTR3A (0.66) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30952473 0.78 HTR3A (0.66) HTR6HTR1ASLC6A2SLC6A4SLC6A3

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
EP-2733144-B1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
EP-2733144-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP disclosed
WO-2013008872-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY 参天製薬株式会社 (JP) 2013-01-17 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-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY PARP1, PARP11, PARP2 HTR6 1666/4885HTR1A 1632/4885SLC6A2 4770/4885

“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.