SCHEMBL7140346

SCHEMBL7140346

O=C(c1ccc(F)cc1)N1CCCC(CCN2CCc3[nH]c4ccccc4c3C2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.52
▸ CCND1 P24385 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ APAF1 O14727 1/20 0.49
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL7132549 0.82 APAF1 (0.57) ALDH1A1APAF1HDAC1HDAC6POLB
SCHEMBL7146651 0.76 APAF1 (0.80) KDM4EALDH1A1HPGDAPAF1HDAC1
SCHEMBL7134087 0.73 HTR5A (0.53) HDAC6PRMT5WDR77
SCHEMBL13942726 0.72 CDK4 (0.93) CDK4CCND1
SCHEMBL13942742 0.69 CDK4 (1.00) CDK4CCND1
SCHEMBL3079170 0.69 MAPT (0.71) CDK4CCND1KDM4EALDH1A1MAPT
SCHEMBL7245981 0.68 DRD3 (0.68) CDK4CCND1KDM4EAPAF1POLB
SCHEMBL273794 0.68 CDK4 (0.56) CDK4CCND1ALDH1A1POLB
SCHEMBL12868422 0.68 CDK4 (0.77) CDK4CCND1MAPT
SCHEMBL276061 0.67 ABCG2 (0.60) CDK4CCND1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015451-B1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-06-18 — — EP disclosed
US-6506768-B2 Serotonergic modulators; for treatment of disorders of the central nervous system including psychotic disorders, hypertension and vascular disorders, migraine JANSSEN PHARMACEUTICA N.V. (BE) 2003-01-14 — — US disclosed
US-20020103209-A1 Tetrahydro gamma-carbolines KENNIS LUDO EDMOND JOSEPHINE (BE) 2002-08-01 — — US disclosed
US-6303614-B1 FOR THERAPY PSYCHOTIC DISORDER SELECTED FROM DEPRESSION, ANXIETY OR PSYCHOSIS JANSSEN PHARMACEUTICA N.V. (BE) 2001-10-16 — — 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 (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-20020103209-A1 Tetrahydro gamma-carbolines OPRD1, CYP1B1, CBR1 CDK4 1312/4885CCND1 303/4885KDM4E 3338/4885

“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.

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