SCHEMBL7017753

SCHEMBL7017753

Clc1ccc2c(n1)CCN(C(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.42
▸ ADRA2A P08913 3/20 0.42
▸ CHRM1 P11229 3/20 0.42
▸ DRD1 P21728 3/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ SLC6A3 Q01959 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ TBXA2R P21731 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ BCL2 P10415 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ OPRM1 P35372 5/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CHRM3 P20309 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
SCHEMBL7006047 0.77 ALDH1A1 (0.45) HTR2AHTR2CTSHRTDP1NPSR1
SCHEMBL29883119 0.72 KMT2A (0.63) ADRA2AHRH1HTR2BSMN1; SMN2ALDH1A1
SCHEMBL1038680 0.72 KMT2A (0.63) ADRA2AHRH1HTR2BSMN1; SMN2ALDH1A1
SCHEMBL17984897 0.72 ABHD6 (0.38) ADRA2AHTR2AHTR2CHTR2BCYP2C19
SCHEMBL16799021 0.71 ADRB1 (0.40) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1040520 0.70 CYP2C9 (0.47) DRD1DRD3KCNH2CYP2C19
SCHEMBL867848 0.69 ABHD6 (0.48) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL20526049 0.67 ABHD6 (0.41) SMN1; SMN2PDCD1CD274
SCHEMBL24757211 0.67 ABHD6 (0.35) HTR2AHTR2CHTR2B
SCHEMBL18288906 0.67 PNMT (0.49) MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 — — US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 — — US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 — — EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 — — US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 — — US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 — — US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 — — US disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 — — EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 — — 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 (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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN CHRM2 297/4885ADRA2A 258/4885CHRM1 109/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 CHRM2 309/4885ADRA2A 277/4885CHRM1 112/4885

“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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