SCHEMBL6979910

SCHEMBL6979910

CCC(C)(C)NC(=O)c1ccc(NC)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
HTT P42858 2/20 0.51
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.41
ANO1 Q5XXA6 2/20 0.41
PLK1 P53350 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL5506262 0.83 NAMPT (0.60) NAMPTHTTPOLBHPGDMEN1
SCHEMBL19592503 0.82 HTT (0.54) NAMPTHTTPOLBHPGDNPSR1
SCHEMBL6976261 0.82 LMNA (0.49) HTTPOLBKMT2AHDAC3HDAC1
SCHEMBL21470612 0.81 ANO1 (0.57) NAMPTPOLBHPGDNPSR1MEN1
SCHEMBL5940572 0.81 HTT (0.52) NAMPTHTTPOLBHPGDNPSR1
SCHEMBL20193359 0.81 HTT (0.52) NAMPTHTTPOLBHPGDNPSR1
SCHEMBL25767472 0.81 HTT (0.52) NAMPTHTTPOLBHPGDNPSR1
SCHEMBL25780577 0.81 KDM4E (0.61) NAMPTHTTPOLBHPGDNPSR1
SCHEMBL25781021 0.81 L3MBTL1 (0.61) NAMPTHTTPOLBMEN1ALDH1A1
SCHEMBL4516395 0.80 POLB (0.71) NAMPTHTTPOLBHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934264-B1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER (US) 2003-09-10 EP claimed
US-6313302-B2 OPIOID KAPPA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; ANALGESICS, ANTIINFLAMMATORY AGENTS, ANESTHETICS, AND NEUROPROTECTANTS PFIZER INC. 2001-11-06 US claimed
US-20010014683-A1 Analgesics; side effect reduction ITO FUMITAKA (JP) 2001-08-16 US claimed
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 claimed
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
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 NAMPT 3897/4885HTT 1344/4885POLB 2910/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 NAMPT 4544/4885HTT 1009/4885POLB 2807/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 NAMPT 4598/4885HTT 1569/4885POLB 1022/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 NAMPT 4627/4885HTT 1672/4885POLB 1996/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 NAMPT 4453/4885HTT 103/4885POLB 2321/4885

“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.