SCHEMBL8380936

SCHEMBL8380936

Oc1ccc(C2=CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QDPR P09417 4/20 1.00
HTR2C P28335 8/20 0.66
SIGMAR1 Q99720 2/20 0.66
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
NAMPT P43490 1/20 0.46

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 SCHEMBL17455197 0.98 QDPR (0.96) QDPRHTR2CSIGMAR1ESR1ESR2
Tert-Butyl Formate SCHEMBL27618488 0.82 QDPR (0.67) QDPRHTR2CSIGMAR1ESR1ESR2
SCHEMBL7744628 0.81 QDPR (1.00) QDPRHTR2CSIGMAR1ESR1ESR2
SCHEMBL31367896 0.81 QDPR (1.00) QDPRHTR2CSIGMAR1ESR1ESR2
SCHEMBL10354311 0.81 QDPR (0.68) QDPRHTR2CSIGMAR1ESR1ESR2
SCHEMBL21228136 0.80 HTR2C (0.66) QDPRHTR2CSIGMAR1ESR1ESR2
SCHEMBL29914651 0.80 HTR2C (0.66) QDPRHTR2CSIGMAR1ESR1ESR2
SCHEMBL19998281 0.79 HTR2C (0.66) QDPRHTR2CSIGMAR1NAMPT
SCHEMBL532892 0.79 HTR2C (0.66) QDPRHTR2CSIGMAR1
Hydrochloric Acid SCHEMBL10354312 0.79 QDPR (0.66) QDPRHTR2CSIGMAR1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969723-B2 3-(4-(benzyloxy)phenyl)hex-4-ynoic acid derivative, method of preparing same and pharmaceutical composition for preventing and treating metabolic disease including same as effective ingredient HYUNDAI PHARM CO., LTD (KR) 2018-05-15 US disclosed
US-9969723-B2 3-(4-(benzyloxy)phenyl)hex-4-ynoic acid derivative, method of preparing same and pharmaceutical composition for preventing and treating metabolic disease including same as effective ingredient HYUNDAI PHARM CO., LTD (KR) 2018-05-15 US disclosed
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES HYUNDAI PHARM CO., LTD. (KR) 2017-10-19 US disclosed
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES HYUNDAI PHARM CO., LTD. (KR) 2017-10-19 US disclosed
EP-3207928-A2 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4-(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES Hyundai Pharm Co., Ltd. (KR) 2017-08-23 EP disclosed
US-20160024063-A1 NOVEL 3-(4(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, METHOD OF PREPARING SAME AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC DISEASE INCLUDING SAME AS EFFECTIVE INGREDIENT HYUNDAI PHARM CO., LTD (KR) 2016-01-28 US disclosed
US-20160024063-A1 NOVEL 3-(4(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, METHOD OF PREPARING SAME AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC DISEASE INCLUDING SAME AS EFFECTIVE INGREDIENT HYUNDAI PHARM CO., LTD (KR) 2016-01-28 US disclosed
US-5874433-A Blocking utilization of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-02-23 US disclosed
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
US-5502050-A DIHYDROXYPHENYL-SUBSTITITED PYRIDINES OR QUINONES, HYPERTENSIVE AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-03-26 US disclosed
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 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 (2 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-20160024063-A1 NOVEL 3-(4(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, METHOD OF PREPARING SAME AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC DISEASE INCLUDING SAME AS EFFECTIVE INGREDIENT GPR119, INSR, IRS1 QDPR 3861/4885HTR2C 2854/4885SIGMAR1 1092/4885
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES SLC5A2, SLC5A1, DPP4 QDPR 1837/4885HTR2C 586/4885SIGMAR1 2422/4885

“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.