SCHEMBL331604

SCHEMBL331604

[CH2]CCC(C)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SLC6A4 P31645 1/20 0.41
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAOA P21397 2/20 0.36
PTGS1 P23219 1/20 0.36
CA4 P22748 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL3469518 0.83 MTNR1A (0.50) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL1454240 0.81 MTNR1A (0.49) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL11613012 0.80 ALDH1A1 (0.41) MTNR1AMTNR1BSLC6A4LMNAPOLB
SCHEMBL28546046 0.80 SLC6A4 (0.39) MTNR1AMTNR1BSLC6A4LMNAPOLB
SCHEMBL11614077 0.80 SIGMAR1 (0.50) SLC6A4POLBCYP1A2GAACYP2C9
SCHEMBL8515621 0.80 ESR2 (0.38) MTNR1AMTNR1BLTA4HPTGS1
SCHEMBL218384 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL27629520 0.79 MTNR1A (0.51) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL7582723 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL7404204 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
CN-107918247-B Colored curable resin composition 住友化学株式会社 2022-03-18 CN disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
CN-106019840-B Colored curable resin composition 东友精细化工有限公司 2021-01-29 CN disclosed
CN-112154167-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-12-29 CN disclosed
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-09-10 US disclosed
CN-111315828-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-06-19 CN disclosed
US-10603331-B2 Method of treating disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-31 US disclosed
WO-2020021969-A1 COMPOSITION, CURED PRODUCT, OPTICAL FILTER, AND PRODUCTION METHOD FOR CURED PRODUCT 株式会社ADEKA 2020-01-30 WO disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 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 (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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C MTNR1A 49/4885MTNR1B 110/4885SLC6A4 115/4885
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH MTNR1A 76/4885MTNR1B 91/4885SLC6A4 95/4885
US-10603331-B2 Method of treating disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine MC2R, PNMT, SLC6A2 MTNR1A 29/4885MTNR1B 41/4885SLC6A4 102/4885

“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.