SCHEMBL6983716

SCHEMBL6983716

CCCNC(=O)c1ccc(N)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.72
▸ THRB P10828 1/20 0.72
▸ RECQL P46063 1/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ KMT2A Q03164 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ HPGD P15428 4/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ CHRM2 P08172 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47

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
SCHEMBL3107614 0.87 POLB (0.54) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL10789586 0.84 POLB (1.00) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL14094449 0.84 CYP1A2 (0.59) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL10126727 0.83 POLB (0.53) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL12121110 0.83 POLB (0.74) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL14094442 0.81 SIGMAR1 (0.55) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL14547928 0.81 POLB (0.51) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL13535943 0.81 L3MBTL1 (0.72) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL14547921 0.80 KDM4E (0.57) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL6976737 0.80 POLB (0.70) POLBTHRBRECQLTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO disclosed
EP-0934264-B1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER (US) 2003-09-10 — — EP disclosed
US-6313302-B2 OPIOID KAPPA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; ANALGESICS, ANTIINFLAMMATORY AGENTS, ANESTHETICS, AND NEUROPROTECTANTS PFIZER INC. 2001-11-06 — — US disclosed
US-6310061-B2 OPIOID RECEPTOR SUBTYPE KAPPA; USE AS ANALGESIC, ANESTHETIC, ANTIINFLAMMATORY OR NEUROPROTECTIVE AGENT, FOR TREATMENT OF ARTHRITIS, STROKE OR FUNCTIONAL BOWEL DISEASE; REDUCED DRUG DEPENDENCY SIDE EFFECTS PFIZER INC. 2001-10-30 — — US disclosed
US-6307061-B2 USEFUL AS AN ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECIVE AGENT PFIZER INC. 2001-10-23 — — US disclosed
US-6303602-B1 USEFUL AS ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECTIVE AGENT, OR FOR THERAPY OF ARTHRITIS, STROKE OF FUNCTIONAL BOWEL DISEASE PFIZER INC. 2001-10-16 — — US disclosed
US-6294557-B1 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 — — US disclosed
US-6294569-B2 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 — — US disclosed
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists ITO FUMITAKA (JP) 2001-09-06 — — US disclosed
US-20010014683-A1 Analgesics; side effect reduction ITO FUMITAKA (JP) 2001-08-16 — — US disclosed
US-20010011091-A1 Analgesics ITO FUMITAKA (JP) 2001-08-02 — — US disclosed
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor ITO FUMITAKA (JP) 2001-07-26 — — US disclosed
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease ITO FUMITAKA (JP) 2001-07-19 — — US disclosed
US-6201007-B1 OPIOID KAPPA RECEPTOR AGONISTS; ANALGESICS, ANESTHETICS, NEUROPROTECTIVE AND ANTIINFLAMMATORY AGENTS; STROKES, GASTROINTESTINAL DISORDERS PFIZER INC. 2001-03-13 — — US disclosed
CN-1237962-A Pyrrolidinyl and pyrrolinyl ethylamine compounds as K agonists PFIZER (US) 1999-12-08 — — CN disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 — — EP disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 — — 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 (5 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-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 POLB 2910/4885THRB 856/4885RECQL 2877/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 POLB 2807/4885THRB 1340/4885RECQL 1912/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 POLB 1022/4885THRB 1385/4885RECQL 2541/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 POLB 1996/4885THRB 966/4885RECQL 1813/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 POLB 2321/4885THRB 1878/4885RECQL 1694/4885

“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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