SCHEMBL4690574

SCHEMBL4690574

[CH2]C(C)Cc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 2/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MAOB P27338 1/20 0.35
HRH1 P35367 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
SCHEMBL104529 0.80 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
Ammonia Solution, Strong SCHEMBL29040632 0.78 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL26329006 0.78 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL21851278 0.78 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
Iodide SCHEMBL1750931 0.78 CYP2C9 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL11062127 0.76 CYP3A4 (0.45) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL8513064 0.76 CYP3A4 (0.55) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL16321985 0.76 TAAR1 (0.60) LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL4662841 0.76 CYP3A4 (0.45) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL27308252 0.76 TAAR1 (0.60) LOXL2SLC6A2SLC6A4SLC6A3

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-06-06 US disclosed
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-08 US disclosed
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-05 US disclosed
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-03-16 US disclosed
EP-2753617-B9 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-9539252-B2 Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20160143905-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
CN-1051038-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1991-05-01 CN 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 (8 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-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP3A4 222/4885CYP1A2 211/4885CYP2C9 991/4885
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP3A4 222/4885CYP1A2 211/4885CYP2C9 991/4885
US-20160143905-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP3A4 222/4885CYP1A2 211/4885CYP2C9 991/4885
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP3A4 222/4885CYP1A2 211/4885CYP2C9 991/4885
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, SULT2A1, CYP4Z1 CYP3A4 121/4885CYP1A2 109/4885CYP2C9 558/4885
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP3A4 222/4885CYP1A2 211/4885CYP2C9 991/4885
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP3A4 222/4885CYP1A2 211/4885CYP2C9 991/4885
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP3A4 222/4885CYP1A2 211/4885CYP2C9 991/4885

“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.